2-Amino-3-bromo-5-fluorobenzoic acid

Name: 2-Amino-3-bromo-5-fluorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 259269-84-6
Cat. No. CS-W021546
Purity≥95%
MDL No.MFCD00662509

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Amino-3-bromo-5-fluorobenzoic acid|CS-W021546

Structure of 259269-84-6

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General Information

CAS No. 259269-84-6
Cat. No. CS-W021546
Purity ≥95%
MDL No. MFCD00662509
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrFNO₂
Molecular Weight 234.02
Synonym(s) Benzoic acid, 2-amino-3-bromo-5-fluoro-
SMILES NC1=C(C=C(F)C=C1Br)C(O)=O

Description

2-Amino-3-bromo-5-fluorobenzoic acid features a strategically positioned amino group flanked by bromo and fluoro substituents, enabling selective functionalization in pharmaceutical intermediates. This electron-deficient aromatic system supports efficient coupling reactions under standard conditions, while the carboxylic acid moiety facilitates direct conjugation or derivatization. The molecule exhibits bench-stable handling characteristics and compatibility with diverse reaction environments.

Application

2-Amino-3-bromo-5-fluorobenzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-substituted aryl scaffold enables efficient palladium-catalyzed cross-coupling reactions, while the carboxylic acid group facilitates derivatization via amide formation or esterification. The molecule exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative medicinal chemistry campaigns and API development workflows.

Synthesis

Route1
- In-stock
  
  446-08-2
- ~65%
- In-stock
  
  259269-84-6
References
- Barlaam, Bernard; Harris, Craig S.; Lecoq, Jonathan; Nguyen, Ha Thi Hoang Tetrahedron, 2012 , vol. 68, # 2 p. 534 - 543

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 63.32
LogP 1.8686
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-3-bromo-5-fluorobenzoic acid

CAS No. 259269-84-6

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